2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)N)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)N)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O5S/c1-24(31(28,29)19-11-9-18(30-2)10-12-19)13-5-8-21(26)25-15-17-7-4-3-6-16(17)14-20(25)22(23)27/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3,(H2,23,27)